N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide

C26H22N4O3S — CID 3883463

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H22N4O3S/c31-26(28-19-10-6-11-20(16-19)34(32,33)30-25-14-7-15-27-25)22-17-24(18-8-2-1-3-9-18)29-23-13-5-4-12-21(22)23/h1-6,8-13,16-17H,7,14-15H2,(H,27,30)(H,28,31)
InChIKeyHJCXCLPUWVXAGE-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.62
Rot. Bonds5

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 3883463) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID3883463
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H22N4O3S/c31-26(28-19-10-6-11-20(16-19)34(32,33)30-25-14-7-15-27-25)22-17-24(18-8-2-1-3-9-18)29-23-13-5-4-12-21(22)23/h1-6,8-13,16-17H,7,14-15H2,(H,27,30)(H,28,31)
InChIKeyHJCXCLPUWVXAGE-UHFFFAOYSA-N
XLogP4.62
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4833277
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 40855207
(2R)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 40855204
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 3413148
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
CID 60583682

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide (CID 3883463) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is HJCXCLPUWVXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c31-26(28-19-10-6-11-20(16-19)34(32,33)30-25-14-7-15-27-25)22-17-24(18-8-2-1-3-9-18)29-23-13-5-4-12-21(22)23/h1-6,8-13,16-17H,7,14-15H2,(H,27,30)(H,28,31).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).